Machine Learning Papers

Although neural networks are remarkably effective, their underlying optimization principles remain theoretically elusive, often characterized by non-convex landscapes and stochastic heuristics. In this work, we propose a paradigm shift by replacing the discrete training problem of shallow neural networks with a well-posed continuum variational surrogate. We identify a family of $λ$-convex functionals over parameter densities in weighted Sobolev spaces and prove that these variational problems are globally well-posed, stable, and exhibit unexpected almost $C^3$ regularity. Unlike existing Wasserstein-based or Mean-Field approaches, which often face limited regularity and discretization challenges, our formulation provides direct access to elliptic regularity and convex analysis. This allows us to prove that the optimal parameter density can be obtained by solving a single linear system, bypassing iterative optimization entirely. We establish explicit generalization error controls at a rate of $1/α$ relative to the regularization parameter, and prove that finite-width networks of size $N$ achieve the continuum optimum at an $O(1/N)$ rate. This perspective bridges the gap between the Neural Tangent Kernel (NTK) and feature-learning regimes, providing a principled framework for understanding over-parameterization through the lens of variational calculus.

Many everyday programming tasks resist clean rule-based implementation, such as alerting on important log lines, repairing malformed JSON, or ranking search results by intent, and are increasingly outsourced to large language model APIs at the cost of locality, reproducibility, and price. We propose fuzzy-function programming: compiling such a function from a natural-language specification into a compact, locally-executable neural artifact. We instantiate this paradigm with Program-as-Weights (PAW), in which a 4B compiler trained on FuzzyBench, a 10M-example dataset we release, emits parameter-efficient adapters for a frozen, lightweight interpreter. A 0.6B Qwen3 interpreter executing PAW programs matches the performance of direct prompting of Qwen3-32B, while using roughly one fiftieth of the inference memory and running at 30 tokens/s on a MacBook M3. PAW reframes the foundation model from a per-input problem solver into a tool builder: invoked once per function definition, it produces a small reusable artifact whose subsequent calls per function application are cheap and offline.

This paper studies additive regret in the multi-secretary problem, defined as the gap between the expected offline prophet reward and the reward of the best online policy. Prior work established \(O(\log T)\) regret for bounded-density distributions with connected support and \(O((\log T)^2)\) upper bounds for bounded-density distributions with support gaps. It was unknown whether the extra logarithmic factor is necessary even in the one-resource model. We prove that it is necessary. For a mixture of two separated uniform distributions at the critical capacity, the optimal regret grows at least on the order of \((\log T)^2\). Thus the existing \(O((\log T)^2)\) upper bounds for bounded-density gapped instances, including those implied by network revenue management models with continuous rewards, are tight in this simplest specialization. The same framework also yields a matching lower bound for gapped distributions whose gap-facing densities vanish near the support edges; this companion result is given in the appendix. The proofs use Bellman certificates: feasible solutions to a relaxation of the exact Bellman recursion. This framework converts lower bounds into explicit certificate constructions and identifies why support gaps permit larger regret.

Autonomous scientific discovery systems offer the potential to accelerate research by automating the process of hypothesis generation and validation. However, current systems operate within constrained search spaces or require predefined research questions, limiting their capacity for true open-ended inquiry. Furthermore, while they generate hypotheses iteratively, they largely lack the ability to explicitly synthesize their own accumulated findings to uncover complex, interconnected phenomena. We introduce DiscoPER, an autonomous large language model-powered framework that conducts open-ended research by dynamically generating and executing code to explore datasets without pre-specified research objectives. To ensure rigorous scientific validity, every proposed discovery must pass statistical testing. To overcome the limitations of isolated search, our framework introduces a second-order reasoning mechanism that periodically analyzes its own accumulated discoveries. By treating prior discoveries as empirical data, DiscoPER identifies structural patterns, confounds, and epistemic gaps, actively redirecting hypothesis exploration toward uncharted regions of the search space. The search space is further expanded by incorporating tool use, enabling the system to explore hypotheses beyond structured metadata by seamlessly processing and extracting useful information from multimodal sources like images. Evaluated on iNatDisco, a new multimodal ecological knowledge benchmark with pattern-level ground truth obtained from peer-reviewed literature, DiscoPER recovers 8 of 9 known patterns with a 72.7% hypothesis support rate, outperforming both classical causal discovery and LLM-guided baselines. Ablations show that DiscoPER scales with more data, and confirms the benefits of second-order meta-reflection.

Language models increasingly write probabilistic programs (in NumPyro, Stan, or Pyro), but a program that compiles, runs, and passes every unit test can still be \emph{statistically} wrong -- a Gaussian likelihood for heavy-tailed data, a Poisson for over-dispersed counts, an invalid prior support, or a pathological parameterization. The right verifier is therefore not a test suite but the Bayesian workflow itself: posterior predictive checks, simulation-based calibration, sampler diagnostics ($\hat R$, divergences, ESS), and held-out predictive density. We study this calibration oracle along three axes. \textbf{Detection:} on a benchmark of $14$ misspecification types across $10$ model families ($200$ instances), it flags the bug with AUC $0.97$ ($88\%$ at $2\%$ FPR \emph{when handed the correct reference program, an upper bound}) -- and a fully \emph{reference-free} version that uses no correct program reaches $62$--$78\%$ (the upper figure from a small automated model search), versus $0\%$ for a unit-test oracle. \textbf{Repair:} used as feedback in an LLM repair loop across fifteen models, calibration significantly outperforms unit-test feedback -- which is itself \emph{significantly worse than no feedback at all}, a passing test inducing false confidence that suppresses repair -- and improves over no feedback on strong-but-unsaturated models (GPT-5.1 $33{\to}92\%$, Claude $75{\to}100\%$; paired McNemar, $n{=}228$). \textbf{Reality:} on programs LLMs write from scratch for neutral briefs, $15$--$47\%$ of runnable ones are statistically misspecified (unit tests catch none), and calibration-guided repair significantly beats LLM-as-judge review, a Bayesian-workflow checklist, and data-summary self-debug. Across all three, the lesson is the same: for probabilistic programs, correctness is calibration, not compilation.

4D hand motion reconstruction from egocentric video is bottlenecked by clear limitations of existing methods: image-based pipelines depend on a detector that fails under heavy occlusion, while video-based methods rely on temporal modules learned only from scarce hand-pose annotations, a narrow signal insufficient to model motion dynamics, occlusion reasoning, and hand-object interaction. These capabilities, however, are exactly what video generative models must implicitly acquire when trained to synthesize coherent video at internet scale. Motivated by this, we present ViDiHand, which leverages the representations of a pretrained video diffusion model to reconstruct 4D two-hand pose. We adapt it via a hand-overlay rendering objective that specializes its features for hands while preserving its world priors. A decoder then recovers metric-scale pose from the adapted features. The whole pipeline operates directly on full frames--no detector, no infiller, and no test-time optimization. On ARCTIC, HOT3D, and HOI4D, ViDiHand substantially outperforms prior methods, establishing video diffusion models as a powerful new foundation for hand motion reconstruction and a promising route to scalable in-the-wild data collection for embodied AI. Project page: https://vidihand.github.io.

On-policy distillation (OPD) offers superior capacity transfer by supervising student-sampled trajectories with dense token-level signals. To furnish high-quality supervision sources and thereby elevate the performance frontier of distillation, an intuitive direction is to infuse privileged information to either teacher or student itself. However, this additional input induces a potential failure mode we dub privilege illusion: a pattern that conflates the transferable capability gap that students are meant to close, and the information asymmetry gap that can only be mimicked but never replicated. This issue is further amplified by the inherent non-uniformity of token-level supervision, where only a small subset of tokens carries pivotal capability-bearing signals. To this end, we propose DOPD, an advantage-aware dual distillation paradigm that dynamically routes token-level supervision between privileged teacher and privileged student policies based on their advantage gap and relative probabilities. Each token receives supervision of different strength, objective, and strategy from either teacher or student itself, which transfers credible capability while simultaneously receiving auxiliary signals, to alleviate privilege illusion. Extensive experiments on both large language model (LLM) and vision-language model (VLM) settings demonstrate that DOPD consistently outperforms Vanilla OPD and other counterparts. Further results on stability, robustness, continual learning, and out-of-distribution tasks validate its superiority.

Technology computer-aided design (TCAD) semiconductor device simulation is fundamentally constrained by the high computational cost of iteratively solving coupled drift-diffusion equations. Existing ML surrogates either reduce internal physics to macroscopic scalar regressions, or rely on single-step mappings that lack the iterative refinement required to resolve stiff, coupled fields. To address this, we introduce PCGD, a Physics-Guided Conditional Graph Diffusion framework operating natively on unstructured TCAD meshes to predict coupled electrostatic and carrier density fields. PCGD employs a Condition-Aware MeshGraphNet denoiser that explicitly injects boundary conditions and device structure context via global cross-attention. By augmenting data-driven denoising with a physics-guided hybrid objective that integrates exponent-free quasi-Fermi gradient matching with noise-aware PDE residuals, PCGD progressively enforce physical constraints in the iterative diffusion trajectory. This strategy successfully bypasses the numerical instabilities typical of stiff drift-diffusion equations. Evaluated on a challenging mixed PN/MOS benchmark, PCGD significantly outperforms deterministic one-step regression (1.207% error) and local diffusion (1.585% error) baselines by achieving a sub-percent mean relative field error of 0.835%, while concurrently reducing maximum PDE residual errors by nearly three orders of magnitude compared to pure diffusion. It also transfers robustly to unseen SOI topologies (0.815% error) via LoRA adaptation, using 5.30$\times$ less data and 14.34$\times$ fewer parameters than full fine-tuning. Ultimately, PCGD bridges the computational efficiency of generative surrogates with the rigorous physical fidelity of traditional TCAD, unlocking highly scalable, field-level analysis for robust device engineering.

Diffusion Language Models (DLMs) are typically trained under fixed context structures, restricting denoising to predetermined token subsets. This creates a mismatch between training and inference, where models must operate over arbitrary configurations, leading to degradation off the training grid. We propose Adaptive Block Diffusion (ABD), which resolves this mismatch by optimizing denoising risk over a distribution of prefix-window configurations. By treating the configuration as a stochastic variable, ABD trains a single model over the full configuration space without architectural changes. We show that generalization across decoding strategies is governed by the support of the training distribution, and that ABD guarantees denoising optimality for any inference policy whose configurations are covered during training. Empirically, ABD exhibits structural invariance across decoding scales, avoiding off-grid collapse and recovering a monotonic relationship between block size and perplexity, while matching or outperforming fixed-block specialists at their target scales.

Retrieval-augmented generation (RAG) typically treats context selection as ranking chunks against a single query embedding. This assumption breaks down for complex queries, such as multi-hop or ambiguous questions, where top-k selection tends to over-cover one semantic aspect while ignoring critical sub-questions. We propose GeoRAG, which recasts context selection as Information Demand Coverage Optimization. GeoRAG builds a multi-dimensional demand distribution through diverse sub-query generation and reverse-validation weighting, then selects context by minimizing the Sinkhorn-Wasserstein distance between this demand distribution and the coverage of the selected set. The resulting demand-weighted facility-location objective is monotone submodular, giving a $1-1/e$ greedy guarantee, which we approximate with a Sinkhorn-based marginal-gain surrogate. The method is unsupervised, training-free, and retrieval-agnostic. We further show that single-point, query-proximity scorers cannot cover multi-modal demands, exposing a structural limit of ranking-based selection. On six open-domain QA benchmarks, GeoRAG improves exact match (EM) by +6.5 to +7.5 points over top-k truncation (up to +9.7 on HotpotQA and ASQA) and outperforms strong baselines including MMR, DPP, BGE-Reranker, SMART-RAG, and AdaGReS, with stable gains across context budgets and sub-query generators.

Therapy-induced cardiotoxicity is the leading non-oncological cause of treatment interruption in breast cancer patients, yet early, automated risk stratification from routine cardiac imaging remains an unsolved problem. We present EchoRisk, the first curated, multicentre, longitudinal echocardiography dataset with explicit cardiotoxicity labels, released as the primary technical reference for the EchoRisk-MICCAI 2026 challenge. The dataset comprises 422 patients enrolled in the EU-funded CARDIOCARE prospective study across five European sites, yielding 2,159 echocardiography videos across 1,123 clinical exams acquired at up to five longitudinal timepoints, alongside a dedicated cohort of 280 patients with baseline imaging for early cardiotoxicity prediction. Three clinically grounded tasks are defined: automated estimation of left ventricular ejection fraction from cine video (Task 1), classification of LV dysfunction from longitudinal imaging (Task 2), and early prediction of therapy-induced cardiotoxicity from pre-therapy baseline echocardiography alone (Task 3). For each task we specify the evaluation protocol, primary and secondary metrics, and ranking procedure. We establish baseline performance using an R(2+1)D video backbone with LSTM aggregation trained from Kinetics-400 pretrained weights, demonstrating strong discriminative performance for cardiac functional assessment and LV dysfunction classification, while early cardiotoxicity prediction from a single pre-therapy video remains a significant open problem for the community. The dataset, evaluation code, and baseline implementations are publicly available to serve as a benchmark for further collaboration, comparison, and the creation of task-specific architectures in cardio-oncology.

Safe motion planning in dynamic environments requires reasoning about the uncertainty in predicted obstacle motion without sacrificing real-time performance. Existing conformal approaches conformalize a scalar score that aggregates per-obstacle prediction errors, losing spatial coherence and scaling poorly with scene density. We instead conformalize the entire predicted distance field at once. This functional conformal prediction (FCP) framework yields a distribution-free, field-level lower bound, from which safety follows uniformly: any trajectory satisfying the resulting constraint is certified safe, independent of how the control space is sampled. The key enabler is that the residual distance field is empirically low-rank and approximately time-invariant, which makes the bound decomposable in coefficient space. An envelope is fitted offline via functional PCA and a Gaussian-mixture inductive conformal procedure, then refined online by a lightweight adaptive functional conformal (AFCP) update on a low-dimensional vector. This keeps the per-step cost largely insensitive to obstacle count and retains long-run field coverage under distribution shift. We embed the envelope as a tightened safety constraint in a sampling-based model predictive controller, FCP-MPC. On the ETH--UCY pedestrian benchmarks and a dense 3D quadrotor task with up to 280 dynamic obstacles, FCP-MPC attains a favorable balance of safety, feasibility, and efficiency, reaching goals where pointwise and egocentric conformal baselines become too conservative or too expensive, while keeping per-step computation far below online uncertainty-reasoning baselines.

Embodied task planning asks an agent to turn a natural-language instruction into an executable sequence of actions in a physical scene, and is a building block for household, assistive, and service robots. Recent prompting-based and reinforcement-learning planners generate fluent action text but lack a cheap deterministic check that the produced plan is valid in the target world, while high-fidelity simulation is too slow to serve as an inner-loop training signal. The general problem is therefore how to obtain verifiable supervision and rewards for embodied planners without relying on string-level matching or full simulation. Here we show that a single BDDL specification, automatically constructed from open-world video evidence or curated tasks, can serve as a shared interface for data construction, plan verification, and reward design. A video-to-BDDL parser, an LLM verifier, and a lightweight symbolic engine together supply dense feedback at millisecond latency. We further introduce GroupAdapt, a difficulty-aware length schedule that uses the in-batch group pass rate as a zero-cost signal so that hard prompts get wider length tolerance and automatically tighten as their pass rate improves. Under the guidance of the proposed verifier and GroupAdapt schedule, the 8B planner attains a Strict-Pass score of 97.3 on BEHAVIOR-1000, yielding a 25.9 percent relative improvement over the Qwen3-8B baseline. This result exceeds the strongest large-model baseline by 3.5 percent, while simultaneously compressing the response length by 79 percent to 207 tokens, demonstrating both effectiveness and efficiency.

Reward design remains a central bottleneck for autonomous robot policy improvement, especially in long-horizon manipulation tasks where sparse success labels provide too little signal and binary preferences collapse many competing notions of quality into one ambiguous signal. We introduce Freeform Preference Learning (FPL), a method for learning robot policies from freeform human preferences. Rather than asking annotators which of two trajectories is better overall, FPL lets them define natural-language preference axes, such as speed, safety, quality of placement, or carefulness, and provide pairwise preferences along each axis. These annotations are used to learn a language-conditioned reward model that maps a trajectory and preference label to an axis-specific reward. We use this model to train a reward-conditioned policy that optimizes across the multiple human-specified dimensions. Across four real-world and two simulated long-horizon manipulation tasks, FPL improves over sparse-reward and binary-preference methods by 38 percentage points. Beyond improved performance, FPL learns dense progress signals without explicit subtask segmentation, shows compositionality of behavior not present in the data, and allows users to steer the policy towards different behaviors at test time without retraining. Blog post with videos available at https://freeform-pl.github.io/fpl.website/

General-purpose robot policies should be modeled as dynamical systems, yet many VLA and generative imitation policies still rely on present observations or short windows. This Markovian shortcut fails in memory-dependent manipulation: identical observations can demand different actions after different histories. We present Chronos, a physics-informed full-history framework for non-Markovian long-horizon manipulation. The key idea is to elevate observation history from auxiliary context to the latent state of the policy dynamics. At each physical control step, Chronos forms one state-representative token by fusing observation and proprioception, so the token sequence is aligned one-to-one with physical time. A selective state space model propagates this causal historical state, which conditions a multimodal coarse action prior through implicit maximum likelihood estimation (IMLE). This prior is then refined by a second-order Schrodinger-inspired bridge that predicts acceleration fields, yielding smoother and more physically grounded robot motion. Across 16 simulated tasks and 4 real-world experiments, Chronos is evaluated on precision insertion, general manipulation, and memory-dependent long-horizon control. On RMBench, where success requires remembering task phase, Chronos achieves 73.6% average success, outperforming Markovian VLA baseline pi0.5 by +62.4 percentage points, a 6.6x relative gain, while using 10x fewer parameters. It also surpasses the memory VLA Mem-0 by 22.8 points while using over 30x fewer parameters. In real-world dual-arm experiments using a single RGB camera, Chronos achieves 78% average success over four tasks, including 72% on the three memory-dependent tasks, whereas pi0.5 achieves 7% overall and 0% on the memory-dependent subset. These results suggest that history should not be treated as auxiliary context, but as the latent state of the manipulation policy.